2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol

C18H24N6O — CID 156896509

IUPAC2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(N(C)c2ccccc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C18H24N6O/c1-12(2)24-11-19-15-16(23(4)14-8-6-5-7-9-14)21-18(22-17(15)24)20-13(3)10-25/h5-9,11-13,25H,10H2,1-4H3,(H,20,21,22)
InChIKeyDNCNTUVATAYMLF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.97
Rot. Bonds6

About 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol

2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol (PubChem CID 156896509) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
PubChem CID156896509
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
SMILESCC(CO)Nc1nc(N(C)c2ccccc2)c2ncn(C(C)C)c2n1
InChIInChI=1S/C18H24N6O/c1-12(2)24-11-19-15-16(23(4)14-8-6-5-7-9-14)21-18(22-17(15)24)20-13(3)10-25/h5-9,11-13,25H,10H2,1-4H3,(H,20,21,22)
InChIKeyDNCNTUVATAYMLF-UHFFFAOYSA-N
XLogP2.97
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol with MolForge

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Related Compounds

2-[(6-anilino-9-propan-2-ylpurin-2-yl)amino]-3-methylbutan-1-ol
CID 23393285
2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol;ethane
CID 145002763
2-[[9-propan-2-yl-6-[propan-2-yl-[(4-pyridin-2-ylphenyl)methyl]amino]purin-2-yl]amino]butan-1-ol
CID 171765919
2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]-3-sulfanylpropan-1-ol;ethane;methane
CID 164926363
6-N-fluoro-2-N-(1-methoxybutan-2-yl)-6-N-[(6-phenyl-3-pyridinyl)methyl]-9-propan-2-ylpurine-2,6-diamine
CID 142017428
(2R)-2-[(9-propan-2-yl-6-pyridin-3-ylpurin-2-yl)amino]butan-1-ol
CID 25053272
N-[3-(3-amino-3-methylbutoxy)-3-methylbutyl]-4-[[[2-(1-hydroxybutan-2-ylamino)-9-propan-2-ylpurin-6-yl]-methylamino]methyl]benzamide
CID 130215445
2-N-ethyl-6-N-phenyl-9-propan-2-ylpurine-2,6-diamine
CID 117086621
(2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methyl]purin-2-yl]amino]butan-1-ol
CID 71719747
3-[(6-amino-9-propan-2-ylpurin-2-yl)amino]propan-1-ol
CID 10634429
ethane;2-N,2-N,6-N,9-tetramethyl-6-N-phenylpurine-2,6-diamine
CID 90916255
2-[6-(benzylamino)-9-propan-2-ylpurin-2-yl]oxybutan-1-ol
CID 91453215

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol (CID 156896509) is 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol is CC(CO)Nc1nc(N(C)c2ccccc2)c2ncn(C(C)C)c2n1.
What is the InChIKey of 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol?
The InChIKey is DNCNTUVATAYMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(2)24-11-19-15-16(23(4)14-8-6-5-7-9-14)21-18(22-17(15)24)20-13(3)10-25/h5-9,11-13,25H,10H2,1-4H3,(H,20,21,22).
What are the key properties of 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol?
2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol has a molecular weight of 340.43 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(N-methylanilino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 156896509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).